[4-[[furan-2-ylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[furan-2-ylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[furan-2-carbonyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[2-furanyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-carbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[2-furoyl(isopropyl)amino]methyl]phenyl] ester Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)C2=CC=CO2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)C2=CC=CO2

InChI

InChI=1S/C17H21NO5S/c1-4-24(20,21)23-15-9-7-14(8-10-15)12-18(13(2)3)17(19)16-6-5-11-22-16/h5-11,13H,4,12H2,1-3H3